Exact Mass: 343.0854552
Exact Mass Matches: 343.0854552
Found 322 metabolites which its exact mass value is equals to given mass value 343.0854552,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DIBOA-Glc
C14H17NO9 (343.09032720000005)
Isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis. DIBOA-Glc is found in many foods, some of which are rye, fats and oils, corn, and cereals and cereal products. DIBOA-Glc is found in cereals and cereal products. DIBOA-Glc is isolated from seedlings of rye (Secale cereale), and sweet corn (Zea mays) and seeds of Acanthus mollis.
Violacein
C20H13N3O3 (343.09568680000007)
A member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties.
Niazinin
C15H21NO6S (343.10895260000007)
Niazinin is a glucosinolate and a naturally occurring thiocarbamate. It has been isolated from the leaves of Moringa oleifera (horseradish tree). It is found in fats and oils, herbs and spices, and green vegetables. The trans and cis rotamers of niazinin (niazinin A and niazinin B, respectively) differ in the orientation of the NH group with respect to sulfur. Niazinin is a natural product found in Moringa oleifera with data available.
Caffeoyl tyrosine
Caffeoyl tyrosine is a constituent of cocoa flowers and robusta coffee beans [CCD]
N-(1-Deoxy-1-fructosyl)tyrosine
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)tyrosine is classified as a Natural Food Constituent (code WA) in the DFC.
DHBOA-Glc
C14H17NO9 (343.09032720000005)
Constituent of the roots of Coix lachryma-jobi (Jobs tears). (R)-2,7-Dihydroxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in tea, alcoholic beverages, and coffee and coffee products. DHBOA-Glc is found in alcoholic beverages. DHBOA-Glc is a constituent of the roots of Coix lachryma-jobi (Jobs tears).
p-Coumaroyl 3-hydroxytyrosine
p-Coumaroyl 3-hydroxytyrosine is a constituent of the bark of Dalbergia melanoxylon [CCD]
Avenanthramide 1s
Avenanthramide 1s is a polyphenol compound found in foods of plant origin (PMID: 20428313)
O-Desmethylindomethacin
C18H14ClNO4 (343.0611314000001)
O-Desmethylindomethacin is a metaboite of Indomethacin. Indomethacin is metabolized in humans by O-demethylation, and by acyl glucuronidation to the 1-O-glucuronide. Indomethacin and O-desmethylindomethacin may be glucuronidated in the kidney. Probenecid is a known substrate for renal glucuronidation. If indomethacin is glucuronidated in the human kidney like probenecid, then this glucuronidation might be reduced or inhibited under probenecid co-medication. (PMID: 8156046)
N-desmethylrosiglitazone
C17H17N3O3S (343.09905720000006)
N-desmethylrosiglitazone is a metabolite of rosiglitazone. Rosiglitazone is an antidiabetic drug in the thiazolidinedione class of drugs. It works as an insulin sensitizer, by binding to the PPAR receptors in fat cells and making the cells more responsive to insulin. It is marketed by the pharmaceutical company GlaxoSmithKline (GSK) as a stand-alone drug (Avandia) and in combination with metformin (Avandamet) or with glimepiride (Avandaryl). Annual sales peaked at approximately $2.5bn in 2006, but declined after reports of adverse effects. (Wikipedia)
HHPAA glucuronide
C14H17NO9 (343.09032720000005)
2-Hydroxy-N-(2-hydroxyphenyl)acetamide glucuronide (HHPAA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
Rabeprazole thioether
C18H21N3O2S (343.13544060000004)
7-Hydroxyloxapine
8-Hydroxyloxapine
Clothiapine
C18H18ClN3S (343.09098980000005)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
D009676 - Noxae > D011042 - Poisons D007155 - Immunologic Factors
Violacein
C20H13N3O3 (343.09568680000007)
Phospholipase
C16H16F3NO2S (343.08537920000003)
Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 – cleaves the SN-1 acyl chain . Phospholipase is a member of the class of compounds known as sulfanilides. Sulfanilides are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1. Phospholipase is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Phospholipase can be found in potato, which makes phospholipase a potential biomarker for the consumption of this food product. A phospholipase is an enzyme that hydrolyzes phospholipids into fatty acids and other lipophilic substances. There are four major classes, termed A, B, C and D, distinguished by the type of reaction which they catalyze: Phospholipase A Phospholipase A1 Рcleaves the SN-1 acyl chain .
4-coumaroyl-3',4'-dihydroxyphenyllactate
4-coumaroyl-3,4-dihydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-coumaroyl-3,4-dihydroxyphenyllactate can be found in a number of food items such as moth bean, pepper (c. chinense), pomes, and common chokecherry, which makes 4-coumaroyl-3,4-dihydroxyphenyllactate a potential biomarker for the consumption of these food products.
caffeoyl-4'-hydroxyphenyllactate
Caffeoyl-4-hydroxyphenyllactate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Caffeoyl-4-hydroxyphenyllactate can be found in a number of food items such as purple mangosteen, spirulina, lemon grass, and soy bean, which makes caffeoyl-4-hydroxyphenyllactate a potential biomarker for the consumption of these food products.
DHBOA hexose
C14H17NO9 (343.09032720000005)
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
pestalamide A
A pyranone that is (2S)-2-methyl-4-oxo-4-{[(4-oxo-4H-pyran-3-yl)carbonyl]amino}butanoic acid substituted by a benzyl group at position 6. It has been isolated from Aspergillus niger.
4-O-(1-beta-glucopyranosyl)tyrosine|O-beta-D-Glucopyranosyl-L-tyrosin|O-beta-D-glucopyranosyl-L-tyrosine
S-methyl-N-{[4-(alpha-L-rhamnosyloxy)benzyl]}thiocarbamate
C15H21NO6S (343.10895260000007)
(2R)-2-O-beta-D-glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one|(2R)-2-O-??-D-Glucopyranosyl-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one
C14H17NO9 (343.09032720000005)
Tensidol B
A furopyrrole that is tensidol A in which the hydroxy group attached to the pyrrole ring has been acylated by formal condensation with the 4-carboxy group of 2-methylbutanedioic acid.
(-)-(1Z)-[(4R,5S,6S)-6-(beta-D-glucopyranosyloxy)-5-hydroxy-4-methoxycyclohex-2-en-1-yliden]acetonitrile|(-)-bauhinin|bauhinin
3-[[4-(1H-Indol-3-yl)-5-oxo-1,5-dihydro-2H-pyrrol]-2-ylidene]-5-hydroxy-1,3-dihydro-2H-indol-2-one
C20H13N3O3 (343.09568680000007)
bromopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Bromopride is a dopamine antagonist with prokinetic properties, widely used as an antiemetic.
(-)-N-[4-Hydroxy-(E)-cinnamoyl]-3-hydroxy-L-tyrosine
C14H17NO9_(2S)-4-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
C14H17NO9 (343.09032720000005)
C14H17NO9_(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside
C14H17NO9 (343.09032720000005)
p-Coumaroyl 3-hydroxytyrosine
DIBOA-Glc
C14H17NO9 (343.09032720000005)
DHBOA-Glc
C14H17NO9 (343.09032720000005)
1-Anilino-9,10-dioxo-2-anthroic acid
C21H13NO4 (343.08445380000006)
phenyl [1-(N-succinylamino)pentyl]phosphonate
2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyethyl nitrate
1-Boc-4-(6-Chloro-5-nitro-4-pyrimidinyl)piperazine
C13H18ClN5O4 (343.10472580000004)
Picoprazole
C17H17N3O3S (343.09905720000006)
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29723 - Proton Pump Inhibitor
N-pyridin-2-yl-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
N-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
6-amino-4-(2-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
3-(2,4-DIPHENYL-5-METHYLTHIO-2H-PYRAZOL-3-YL)PYRIDINE
C21H17N3S (343.11431220000003)
tert-butyl 4-(4-fluorophenyl)sulfonylpiperidine-1-carboxylate
10-(3-chloropropyl)-2-(trifluoromethyl)phenothiazine
C16H13ClF3NS (343.04092840000004)
4 5-DIHYDRO-3-(4-PYRIDINYL)-2H-BENZ(G)-INDAZOLE METHANESULFONATE
C17H17N3O3S (343.09905720000006)
6-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-2,3-diol,hydrobromide
[2-(Benzothiazole-2-sulfonylamino)-ethylamino]-acetic acid ethyl ester
3-CHLORO-4-(PIPERIDINE-1-CARBONYL)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
((2R,3S)-3-((Benzyloxy)methyl)oxiran-2-yl)methyl 4-nitrobenzoate
1,2-NAPHTHALENEDIOL, 6-(DIPROPYLAMINO)-5,6,7,8-TETRAHYDRO-, HYDROBROMIDE
2-[6,7-DIMETHOXY-2-(METHYLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL]ACETOHYDRAZIDE
6-amino-4-(4-fluorophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
3-(1,4-DIPHENYL-5-METHYLTHIO-1H-PYRAZOL-3-YL)PYRIDINE
C21H17N3S (343.11431220000003)
4-Bromo-N-(tert-butoxycarbonyl)-D-phenylalanine
C14H18BrNO4 (343.04191280000003)
boc-(s)-3-amino-3-(3-bromo-phenyl)-propionic acid
C14H18BrNO4 (343.04191280000003)
boc-(r)-3-amino-3-(2-bromo-phenyl)-propionic acid
C14H18BrNO4 (343.04191280000003)
(E)-ethyl 3-(cyclopropylamino)-2-(2,4,5- trifluoro-3-methoxybenzoyl)acrylate
C16H16F3NO4 (343.10313720000005)
(4-Bromophenyl)-tert-butoxycarbonylaminoacetic acid methyl ester
C14H18BrNO4 (343.04191280000003)
boc-(s)-3-amino-3-(2-bromo-phenyl)-propionic acid
C14H18BrNO4 (343.04191280000003)
o-3M3FBS
C16H16F3NO2S (343.08537920000003)
tert-butyl N-[3-bromo-1-(4-methoxyphenyl)propyl]carbamate
C15H22BrNO3 (343.07829620000007)
4-Chloro-N-(4-methoxybenzyl)-2-(trifluoroacetyl)aniline
Moxaverine hydrochloride
C20H22ClNO2 (343.13389820000003)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids
4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzenesulphonamide
1H-Pyrrolo[2,3-b]pyridine-3-ethanamine, N,N-dimethyl-1-[(phenylmethyl)sulfonyl]-
C18H21N3O2S (343.13544060000004)
3-(4-FLUORO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
6-Methoxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazolo[3,4-b] quinoline
PYRIDINE-3-BORONIC ACID HYDROCHLORIDE
C14H18BrNO4 (343.04191280000003)
N-(3-NITRO-2-PYRIDINESULFENYL)-L-ASPARTIC ACID BETA-T-BUTYL ESTER
C13H17N3O6S (343.08380220000004)
1-Boc-3-(5-Bromopyrimidin-2-yloxy)pyrrolidine
C13H18BrN3O3 (343.05314580000004)
N,N-dimethyl-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-7-sulfonamide
C17H17N3O3S (343.09905720000006)
1-(3-chlorophenyl)-1-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)urea
C17H14ClN3O3 (343.07236439999997)
BOC-3-AMINO-3-(4-BROMOPHENYL)PROPIONIC ACID
C14H18BrNO4 (343.04191280000003)
8-hydroxyquinoline-beta-d-glucuronic acid, sodium salt
2-Mehtyl-6-[bis(tert-butoxycarbonyl)amino]-4-chloropyrimidine
ALLYL [3-(2-NITROBENZENESULFONAMIDO)PROPYL]CARBAMATE
C13H17N3O6S (343.08380220000004)
2-Methyl-2-propanyl 3-(3-aminophenyl)-4-chloro-1H-pyrrolo[2,3-b]p yridine-1-carboxylate
N-(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthryl)benzamide
C21H13NO4 (343.08445380000006)
m-3M3FBS
C16H16F3NO2S (343.08537920000003)
m-3M3FBS is a potent phospholipase C (PLC) activator. m-3M3FBS stimulates superoxide generation in human neutrophils, upregulates intracellular calcium concentration, and stimulates inositol phosphate generation in various cell lines. m-3M3FBS induces monocytic leukemia cell apoptosis[1][2][3].
3-Bromo-N-(tert-butoxycarbonyl)-L-phenylalanine
C14H18BrNO4 (343.04191280000003)
Methyl 3-(4-Methyl-3-nitro-N-(pyridin-2-yl)benzamido)propanoate
methyl 3-(6-bromopyridin-2-yl)-2-(tert-butoxycarbonyl)propanoate
C14H18BrNO4 (343.04191280000003)
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
C18H17NO4S (343.08782420000006)
2-chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine
C21H14ClN3 (343.08761940000005)
2-chloro-4-(biphenyl-4-yl)-6-phenyl-1,3,5-triazine
C21H14ClN3 (343.08761940000005)
4-(4-Amino-3-chlorophenoxy)-7-methoxy-6-quinolinecarboxamide
C17H14ClN3O3 (343.07236439999997)
2-[1,1-Biphenyl]-2-yl-4-chloro-6-phenyl-1,3,5-triazine
C21H14ClN3 (343.08761940000005)
N-[(2S)-2-[[(Methylsulfonyl)oxy]methyl]-1-oxo-3-phenylpropyl]-glycine ethyl ester
C15H21NO6S (343.10895260000007)
1-Boc-2-(4-bromo-2-fluoro-phenyl)-pyrrolidine
C15H19BrFNO2 (343.05831059999997)
6-Chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid
N-(1-acetyl-3,3-dimethyl-2,3-dihydro-1H-indol-6-yl)-2-chloronicotinamide
2-(1-Adamantyl)isoquinolinium bromide
C19H22BrN (343.09355120000004)
ethyl 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonate
C18H17NO4S (343.08782420000006)
2-(4-(Trifluoromethyl)thiobenzoxy)-5-nitrotoluene
C15H12F3NO3S (343.04899580000006)
1,3,3a,4,6,6a-hexahydroimidazo[4,5-d]imidazole-2,5-dione,formaldehyde,N-methylbenzenesulfonamide
C12H17N5O5S (343.09503520000004)
4(3H)-Quinazolinone,7-amino-3-(4-chlorophenyl)-8-methoxy-2-(1-methylethyl)-
4-(4-CHLOROPHENYL)-2,2:6,2-TERPYRIDINE
C21H14ClN3 (343.08761940000005)
METHYL 3-(5-BROMOPYRIDIN-2-YL)-2-(TERT-BUTOXYCARBONYL)PROPANOATE
C14H18BrNO4 (343.04191280000003)
4-(2,4-Dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
C16H11Cl2N5 (343.03914660000004)
3-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
C20H22ClNO2 (343.13389820000003)
SKF 83822 is an atypical agonist of dopamine D1 receptor. SKF 83822 activates adenylyl cyclase (AC), but not phospholipase C (PLC). SKF 83822 is also proved to stimulate AC via cAMP production. SKF 83822 can be used for research of schizophrenia[1][2].
1-(3-Nitrophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
4-[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]-2,6-dimethylmorpholine
3-[3-(1,3-Dioxo-2-benzo[de]isoquinolinyl)propylthio]propanoic acid
C18H17NO4S (343.08782420000006)
1-(Phenylmethyl)-2-spiro[1,2-dihydro-4,1,2-benzoxadiazine-3,3-indole]one
N-(1,4-Dihydro-5H-tetrazol-5-ylidene)-9-oxo-9H-xanthene-2-sulfonamide
C14H9N5O4S (343.03752340000005)
2,2-{[9-(Hydroxyimino)-9H-fluorene-2,7-diyl]bis(oxy)}diacetic acid
Clotiapine
C18H18ClN3S (343.09098980000005)
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist Clothiapine, an atypical antipsychotic agent, shares with clozapine its strong antiserotonergic properties[1].
Diboa-glucoside
C14H17NO9 (343.09032720000005)
Thiamine phosphate
C12H16N4O4PS- (343.06298460000005)
D018977 - Micronutrients > D014815 - Vitamins COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-Methyldeoxyadenosine monophosphate
C11H14N5O6P-2 (343.06816740000005)
(2S)-6-carboxy-4-[(E)-2-(5,6-dihydroxy-2,3-dihydroindol-1-yl)ethenyl]-2,3-dihydropyridine-2-carboxylate
2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-(4-hydroxyphenyl)propanoate
3-(3,4-dihydroxyphenyl)-2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropanoate
1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetic acid
C18H14ClNO4 (343.0611314000001)
1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea
C15H16F3N3O3 (343.11437020000005)
1-(4-Phenoxyphenyl)tetrahydro-1H-thieno[3,4-b]pyrrol-2(3H)-one 5,5-dioxide
C18H17NO4S (343.08782420000006)
4-fluoro-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide
C18H18FN3OS (343.11545500000005)
4-oxo-N-(7-quinolinylmethylideneamino)-1H-quinazoline-2-carboxamide
N-[3-(1,3-benzothiazol-2-yl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]acetamide
1-[[(2-Methyl-3-furanyl)-oxomethyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
1-(2,4-Difluorophenyl)-3-[(5-methyl-3-phenyl-4-isoxazolyl)methyl]urea
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
3-amino-N-cyclopentyl-6-thiophen-2-yl-2-thieno[2,3-b]pyridinecarboxamide
2-(3-amino-3-oxopropyl)-3-(4-chlorobenzoyl)-2H-indazole 1-oxide
C17H14ClN3O3 (343.07236439999997)
(5Z)-3-(2-methylpropyl)-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8-(1-Piperidinylsulfonyl)-6-pyrido[1,2-a]quinazolinone
C17H17N3O3S (343.09905720000006)
(E)-N-(2-methoxydibenzofuran-3-yl)-3-phenylprop-2-enamide
2-Chloro-8-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
C17H14ClN3O3 (343.07236439999997)
6-[4-(2-methoxyanilino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
3,5-Dihydroxy-3,4,7-trimethoxyflavone(1-)
A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3,5-dihydroxy-3,4,7-trimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
6-[[[1-(4-Propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine
N-[3-(1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl]acetamide
1-(Benzyloxy)-3-(diethoxyphosphinyl)-5-hydroxypyrrolidine-2-one
2-Chloro-6-[4-morpholinyl(oxo)methyl]-11-pyrido[2,1-b]quinazolinone
C17H14ClN3O3 (343.07236439999997)
3-[2-(4-fluorophenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid ethyl ester
C18H18FN3O3 (343.13321300000007)
3-[4-(3,5-Dichloro-4-pyridinyl)piperazino]-1,1,1-trifluoro-2-propanol
4-Chloro-5-morpholin-4-yl-2-quinoxalin-2-ylpyridazin-3-one
5,5-dimethyl-3-{[1-(4-nitrophenylsulfonyl)oxy]ethyl}-dihydro-2(3H)-furanone
C14H17NO7S (343.07256920000003)
N-[(E)-(2-hydroxy-3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
C16H13N3O6 (343.08043180000004)
4-Methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]acetic acid
C15H21NO6S (343.10895260000007)
N(2)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]-N-butyl-L-serinamide
C13H21N5O4S (343.1314186000001)
Desulfogluconasturtiin
C15H21NO6S (343.10895260000007)
A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-phenylpropanethioamide with beta-D-glucopyranose.
1-S-[N-hydroxy-4-(methanesulfinyl)butanimidoyl]-1-thio-beta-D-glucopyranose
2-(1-Aminoethenyl)-4-(3-phenylphenyl)thieno[2,3-c]pyridin-7-amine
C21H17N3S (343.11431220000003)
N-[(Z)-(2-Phenyl-2,3-dihydrochromen-4-ylidene)amino]pyridine-3-carboxamide
(2R)-2-phenyl-N-[2-(4-pyridyl)-1,3-benzoxazol-5-yl]propanamide
2-Amino-3-[2,3-diacetyloxypropoxy(hydroxy)phosphoryl]oxypropanoic acid
2-Amino-3-[hydroxy-(2-hydroxy-3-pentanoyloxypropoxy)phosphoryl]oxypropanoic acid
N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-ethoxybenzamide
D009676 - Noxae > D011042 - Poisons D007155 - Immunologic Factors
desulfoglucoiberin
A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy-3-(methylsulfinyl)butanethioamide with beta-D-glucopyranose.
thiamine(1+) monophosphate(2-)
C12H16N4O4PS (343.06298460000005)
An organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1-), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3.
6-{2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl}-2,3-dihydroxybenzoic acid
5-(2-phenylethyl)-9h-[1,3]dioxolo[4,5-j]phenanthridin-6-one
2-{[3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
(2s,3r,4s,5s,6r)-2-{[(2s)-3,6-dihydroxy-2h-1,4-benzoxazin-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
C14H17NO9 (343.09032720000005)
2-{3-[(2-hydroxyphenyl)methyl]-1h-indole-2-carbonyl}phenol
5-hydroxy-3-(6-hydroxy-1h-indol-3-yl)-4-(1h-indol-3-yl)pyrrol-2-one
C20H13N3O3 (343.09568680000007)
5-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-2,4-dimethyl-5-oxopent-3-enoic acid
3-[(6-benzyl-4-oxopyran-3-carbonyl)-c-hydroxycarbonimidoyl]-2-methylpropanoic acid
10-acetyl-4-(1-aminoethylidene)-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),6,10,12-tetraene-3,5-dione
3-{5-hydroxy-4-[(3e)-2-hydroxyindol-3-ylidene]pyrrol-2-yl}-1h-indol-5-ol
C20H13N3O3 (343.09568680000007)
3-(3,4-dihydroxyphenyl)-2-{[1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}propanoic acid
(2s)-2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)(hydroxy)methylidene]amino}-3-hydroxypropanoic acid
(1s,18r,19r)-18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraene-11,12-dione
2-{[(2r)-2-carboxy-2-[(1-oxido-3,4,5,6-tetrahydropyridin-1-ium-2-yl)amino]ethyl]disulfanyl}pyridin-1-ium-1-olate
2-[(1z,4r,5s,6s)-5-hydroxy-4-methoxy-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-ylidene]acetonitrile
n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methylsulfanylcarboximidic acid
C15H21NO6S (343.10895260000007)
n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methylsulfanylcarboximidic acid
C15H21NO6S (343.10895260000007)
2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-β-d-glucopyranoside
C14H17NO9 (343.09032720000005)
{"Ingredient_id": "HBIN004312","Ingredient_name": "2,4-dihydroxy-1,4-benzoxazin-3-one-2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5765","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r)-2-o-β-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one
C14H17NO9 (343.09032720000005)
{"Ingredient_id": "HBIN006384","Ingredient_name": "(2r)-2-o-\u03b2-d-glucopyranosyl-5-hydroxy-2h-1,4-benzoxazin-3(4h)-one","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC=C2C(=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8665","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-hydroxy blepharin
C14H17NO9 (343.09032720000005)
{"Ingredient_id": "HBIN012420","Ingredient_name": "6-hydroxy blepharin","Alias": "NA","Ingredient_formula": "C14H17NO9","Ingredient_Smile": "C1=CC2=C(C=C1O)NC(=O)C(O2)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9857","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-2-amino-3-(4-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}phenyl)propanoic acid
3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1(16),2(10),4(9),5,7,11(15),12,17(22),18,20-decaene-6,12,14-triol
C20H13N3O3 (343.09568680000007)
n-(6-chloro-7-ethenyl-7,10,10-trimethyl-9-oxo-6,10a-dihydro-5h-anthracen-1-yl)carboximidic acid
C20H22ClNO2 (343.13389820000003)
(2r,6s)-3-hydroxy-16-oxa-4,14,22-triazahexacyclo[15.6.1.0²,⁶.0⁷,¹⁵.0⁸,¹³.0²¹,²⁴]tetracosa-1(23),3,7(15),8,10,12,17(24),18,20-nonaen-5-one
C20H13N3O3 (343.09568680000007)
6-[(5s)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-2,3-dihydroxybenzoic acid
(2r,4e)-10-acetyl-4-(1-aminoethylidene)-11,13-dihydroxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),6,10,12-tetraene-3,5-dione
(2s)-3-[(6-benzyl-4-oxopyran-3-carbonyl)-c-hydroxycarbonimidoyl]-2-methylpropanoic acid
methyl 1-sulfanyl-n-[(4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenyl)methyl]methanimidate
C15H21NO6S (343.10895260000007)
(2s)-3-(3,4-dihydroxyphenyl)-2-{[(2e)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-en-1-ylidene]amino}propanoic acid
2-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
6-[(5r)-2h,5h,6h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl]-2,3-dihydroxybenzoic acid
(2s)-2-{[(2e)-3-(3,4-dihydroxyphenyl)-1-hydroxyprop-2-en-1-ylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
2-({2-carboxy-2-[(1-oxido-3,4,5,6-tetrahydropyridin-1-ium-2-yl)amino]ethyl}disulfanyl)pyridin-1-ium-1-olate
(e,2e)-3-(7-hydroxy-1h-indol-3-yl)-n-[(1e)-2-(1h-indol-3-yl)ethenyl]prop-2-enimidic acid
4-{[2-(dimethylamino)-4-hydroxypteridin-6-yl](hydroxy)methyl}-2-hydroxy-1,3,2λ⁵-dioxaphospholan-2-one
C11H14N5O6P (343.06816740000005)
3-{6-hydroxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indol-5-ol
C20H13N3O3 (343.09568680000007)
n-[(6r,7r,10ar)-6-chloro-7-ethenyl-7,10,10-trimethyl-9-oxo-6,10a-dihydro-5h-anthracen-1-yl]carboximidic acid
C20H22ClNO2 (343.13389820000003)
18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.0¹,¹⁶.0²,¹⁰.0⁴,⁸]icosa-2,4(8),9,16-tetraene-11,12-dione
2-(4-{3h-pyrrolo[2,3-c]quinolin-4-yl}-1,3-thiazol-2-yl)phenol
C20H13N3OS (343.07792880000005)
3,4,8-trihydroxy-1,10-dimethyl-7h-5-oxa-12-thia-7-azatetraphen-6-one
3-{5-hydroxy-4-[(3z)-2-hydroxyindol-3-ylidene]pyrrol-2-yl}-1h-indol-5-ol
C20H13N3O3 (343.09568680000007)
(1-hydroxy-2,3-dimethoxy-9-oxoacridin-10-yl)methyl acetate
methyl 3,6-dihydroxy-4-methoxy-10-nitrophenanthrene-1-carboxylate
methyl 1-sulfanyl-n-({4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]phenyl}methyl)methanimidate
C15H21NO6S (343.10895260000007)
2-[(3,6-dihydroxy-2h-1,4-benzoxazin-2-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
C14H17NO9 (343.09032720000005)
(2s)-2-amino-3-{2-[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-4-hydroxyphenyl}propanoic acid
6-[8-(3-chloro-1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-4-methoxy-3-methylpyran-2-one
(2r)-4-hydroxy-2-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,4-benzoxazin-3-one
C14H17NO9 (343.09032720000005)
6-[(1e,3z,5e,7e)-8-(3-chloro-1h-pyrrol-2-yl)octa-1,3,5,7-tetraen-1-yl]-5-methoxy-4-methylpyran-2-one
(2s,3e)-5-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-2,4-dimethyl-5-oxopent-3-enoic acid
3-[5-(5-hydroxy-1h-indol-3-yl)-2-oxo-1h-pyrrol-3-ylidene]-1h-indol-2-one
C20H13N3O3 (343.09568680000007)
3-(7-hydroxy-1h-indol-3-yl)-n-[2-(1h-indol-3-yl)ethenyl]prop-2-enimidic acid
(4s)-4-[(s)-[2-(dimethylamino)-4-hydroxypteridin-6-yl](hydroxy)methyl]-2-hydroxy-1,3,2λ⁵-dioxaphospholan-2-one
C11H14N5O6P (343.06816740000005)